UCSF

ZINC44118795

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2010 18 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.44 -0.43 -6.15 1 5 0 51 257.33 1
Mid Mid (pH 6-8) 0.44 1.84 -33.06 2 5 1 52 258.338 1

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )